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Related papers: The Power of the Weisfeiler-Leman Algorithm for Ma…

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The $k$-dimensional Weisfeiler-Leman algorithm ($k$-WL) is a fruitful approach to the Graph Isomorphism problem. 2-WL corresponds to the original algorithm suggested by Weisfeiler and Leman over 50 years ago. 1-WL is the classical color…

Discrete Mathematics · Computer Science 2019-04-10 V. Arvind , Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

Robustness in complex systems is of significant engineering and economic importance. However, conventional attack-based a posteriori robustness assessments incur prohibitive computational overhead. Recently, deep learning methods, such as…

Machine Learning · Computer Science 2025-12-29 Chengyu Tian , Wenbin Pei

The Weisfeiler-Leman (WL) algorithm is a well-known combinatorial procedure for detecting symmetries in graphs and it is widely used in graph-isomorphism tests. It proceeds by iteratively refining a colouring of vertex tuples. The number of…

Discrete Mathematics · Computer Science 2021-07-01 Martin Grohe , Sandra Kiefer

As it is well known, the isomorphism problem for vertex-colored graphs with color multiplicity at most 3 is solvable by the classical 2-dimensional Weisfeiler-Leman algorithm (2-WL). On the other hand, the prominent Cai-F\"urer-Immerman…

Computational Complexity · Computer Science 2020-03-18 Frank Fuhlbrück , Johannes Köbler , Oleg Verbitsky

We investigate the power of graph isomorphism algorithms based on algebraic reasoning techniques like Gr\"obner basis computation. The idea of these algorithms is to encode two graphs into a system of equations that are satisfiable if and…

Computational Complexity · Computer Science 2015-02-23 Christoph Berkholz , Martin Grohe

In comparison to graphs, combinatorial methods for the isomorphism problem of finite groups are less developed than algebraic ones. To be able to investigate the descriptive complexity of finite groups and the group isomorphism problem, we…

Logic in Computer Science · Computer Science 2021-11-24 Jendrik Brachter , Pascal Schweitzer

Recent work shows that the expressive power of Graph Neural Networks (GNNs) in distinguishing non-isomorphic graphs is exactly the same as that of the Weisfeiler-Lehman (WL) graph test. In particular, they show that the WL test can be…

The $k$-dimensional Weisfeiler-Leman ($k$-WL) algorithm is a simple combinatorial algorithm that was originally designed as a graph isomorphism heuristic. It naturally finds applications in Babai's quasipolynomial time isomorphism…

Discrete Mathematics · Computer Science 2026-01-13 Martin Grohe , Moritz Lichter , Daniel Neuen , Pascal Schweitzer

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

Machine Learning · Computer Science 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

Knowledge graphs, modeling multi-relational data, improve numerous applications such as question answering or graph logical reasoning. Many graph neural networks for such data emerged recently, often outperforming shallow architectures.…

Machine Learning · Computer Science 2022-12-01 Pablo Barcelo , Mikhail Galkin , Christopher Morris , Miguel Romero Orth

Deep learning has been shown to be successful in a number of domains, ranging from acoustics, images, to natural language processing. However, applying deep learning to the ubiquitous graph data is non-trivial because of the unique…

Machine Learning · Computer Science 2020-03-16 Ziwei Zhang , Peng Cui , Wenwu Zhu

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò

Link prediction with knowledge graphs has been thoroughly studied in graph machine learning, leading to a rich landscape of graph neural network architectures with successful applications. Nonetheless, it remains challenging to transfer the…

Machine Learning · Computer Science 2025-06-10 Xingyue Huang , Miguel Romero Orth , Pablo Barceló , Michael M. Bronstein , İsmail İlkan Ceylan

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

Machine Learning · Computer Science 2023-01-20 Michele Guerra , Indro Spinelli , Simone Scardapane , Filippo Maria Bianchi

The classical Weisfeiler-Leman algorithm aka color refinement is fundamental for graph learning with kernels and neural networks. Originally developed for graph isomorphism testing, the algorithm iteratively refines vertex colors. On many…

Machine Learning · Computer Science 2022-12-09 Franka Bause , Nils M. Kriege

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming…

Machine Learning · Computer Science 2019-02-26 Keyulu Xu , Weihua Hu , Jure Leskovec , Stefanie Jegelka

Graphs are commonly used to characterise interactions between objects of interest. Because they are based on a straightforward formalism, they are used in many scientific fields from computer science to historical sciences. In this paper,…

Machine Learning · Statistics 2015-06-24 Pierre Latouche , Fabrice Rossi

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Graph is an usual representation of relational data, which are ubiquitous in manydomains such as molecules, biological and social networks. A popular approach to learningwith graph structured data is to make use of graph kernels, which…

Machine Learning · Computer Science 2022-08-02 Dai Hai Nguyen , Canh Hao Nguyen , Hiroshi Mamitsuka

In recent years, graph neural networks (GNNs) have emerged as a promising tool for solving machine learning problems on graphs. Most GNNs are members of the family of message passing neural networks (MPNNs). There is a close connection…

Machine Learning · Computer Science 2023-03-01 Giannis Nikolentzos , Michail Chatzianastasis , Michalis Vazirgiannis